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Solntsev Pasha
solntsev@univ.kiev.ua

It is very easy. Just copy manually coordinates of interest from OUTPUT file to $DATA block of a new input file. Check also $guess, $HESS and $VIB sections in the manual. They are probably the most common. And again, all INPUT, OUTPUT, PUNCH and IRCDATA files are plan text files. You can very easily extract data from them and create new input file.

Just try.

Pavel.



On Sat Dec 29 '12 5:15pm, Siddheshwar Chopra wrote
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>Dear Luca,
>First of all many thanks for taking pains to make these files and helping me in understanding. Please clarify the following:
>1) What does IFDMOD=2 STRICT=.T. mean in $ZMAT?
>2) I would be grateful if you could send me the input file which demonstrate how to use the coordinates of PREVIOUS run in the future run. I read the PUNCH, IRCDATA files, but would appreciate if you could show me how to use their outputs in the further runs.

>Regards,

>On Thu Dec 27 '12 9:12pm, Luca Maidich wrote
>--------------------------------------------
>>I forgot the attachment. Sorry.
>>Luca